| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 20 | Yes |
Popular Name: (1S,2R)-2-(4-benzylpiperazin-1-yl)cyclopentanecarbonitrile (1S,2R)-2-(4-benzylpiperazin-1-y…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.68 | 8.94 | -36.42 | 1 | 3 | 1 | 31 | 270.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 8.33 | -36.54 | 1 | 3 | 1 | 31 | 270.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 6.69 | -7.32 | 0 | 3 | 0 | 30 | 269.392 | 3 | ↓ |
